L-778123

Base Information

• Chemical Name: L-778123
• CAS No.: 183499-57-2
• Molecular Formula: C22H20ClN5O
• Molecular Weight: 405.887
• Mol file: 183499-57-2.mol

Synonyms:L-778123;1-(3-Chlorophenyl)-4-[1-(4-cyanobenzyl)-5-imidazolylmethyl]-2-piperazinone;4-((5-((4-(3-chlorophenyl)-3-oxopiperazin-1-yl)methyl)-1H-imidazol-1-yl)methyl)benzonitrile;4-[(5-{[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile;1-(3-chlorophenyl)-4-[1-(4-cyanobenzyl)imidazolyl-methyl]-2-piperazinone;1-(3-chlorophenyl)-4-[1-(4-cyanobenzyl)-5-imidazolyl-methyl]-2-piperazinone;

Chemical Property of L-778123

Chemical Property:

• Boiling Point: 698.9±55.0 °C(Predicted)
• PKA: 7.07±0.20(Predicted)
• PSA: 65.16000
• Density: 1.29±0.1 g/cm3(Predicted)
• LogP: 3.30818
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

4-((5-((4-(3-Chlorophenyl)-3-oxopiperazin-1-yl)methyl)-1H-imidazol-1-yl)methyl)benzonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of L-778123

There total 9 articles about L-778123 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

N1-(3-chlorophenyl)-N2-{[1-(4-cyanobenzyl)-1H-imidazol-5-yl]methyl}-N2-(2-hydroxyethyl)glycinamide (253862-99-6) → 1-(3-chlorophenyl)-4-[1-(4-cyanobenzyl)-5-imidazolylmethyl]-2-piperazinone (183499-57-2)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 23 ℃; for 1h;

DOI:10.1002/jhet.5570400206

Reference yield: 82.9%

1-(3-chlorophenyl)-2-piperazinone hydrochloride (183500-94-9) + 4-(5-chloromethyl-1H-imidazol-1-ylmethyl)benzonitrile hydrochloride → 1-(3-chlorophenyl)-4-[1-(4-cyanobenzyl)-5-imidazolylmethyl]-2-piperazinone (183499-57-2)

Guidance literature:

With iPrEtN; In acetonitrile; at 0 ℃; for 39h;

DOI:10.1002/jhet.5570400206

Reference yield:

propylamine (107-10-8,42939-71-9) + 1-(3-chlorophenyl)-2-piperazinone (183500-70-1) + 4-(5-hydroxymethyl-imidazol-1-ylmethyl)-benzonitrile (183500-36-9) → 1-(3-chlorophenyl)-4-[1-(4-cyanobenzyl)-5-imidazolylmethyl]-2-piperazinone (183499-57-2)

Guidance literature:

1-(3-chlorophenyl)-2-piperazinone; 4-(5-hydroxymethyl-imidazol-1-ylmethyl)-benzonitrile; With sodium tris(acetoxy)borohydride; In 1,2-dichloro-ethane; at 0 ℃; for 26h; 4A molecular sieves;

With water; sodium hydrogencarbonate; In ethyl acetate; 1,2-dichloro-ethane;

propylamine; In dichloromethane; benzene; for 12h;

upstream raw materials:

1-(3-chlorophenyl)-2-piperazinone hydrochloride

N¹-(3-chlorophenyl)-N²-{[1-(4-cyanobenzyl)-1H-imidazol-5-yl]methyl}-N²-(2-hydroxyethyl)glycinamide

2-chloro-N-(3-chlorophenyl)acetamide

3-chloro-aniline

Downstream raw materials:

1-(3-chlorophenyl)-4-[1-(4-cyanobenzyl)-5-imidazolylmethyl]-2-piperazinone dihydrochloride